chembl-database
Query ChEMBL bioactive molecules and drug discovery data. Search compounds by structure/properties, retrieve bioactivity data (IC50, Ki), find inhibitors, perform SAR studies, for medicinal chemistry.
npx skills add LeonChaoX/qinyan-academic-skills --skill chembl-database --agent claude-code
Same command for any agent — swap --agent for codex, cursor, copilot.
Weekly change comes from our own snapshots, not the repository page — it measures attention, not adoption.
# ChEMBL Database ## Overview ChEMBL is a manually curated database of bioactive molecules maintained by the European Bioinformatics Institute (EBI), containing over 2 million compounds, 19 million bioactivity measurements, 13,000+ drug targets, and data on approved drugs and clinical candidates. Access and query this data programmatically using the ChEMBL Python client for drug discovery and medicinal chemistry research. ## When to Use This Skill This skill should be used when: - **Compound searches**: Finding molecules by name, structure, or properties - **Target information**: Retrieving data about proteins, enzymes, or biological targets - **Bioactivity data**: Querying IC50, Ki, EC50, or other activity measurements - **Drug information**: Looking up approved drugs, mechanisms, or indications - **Structure searches**: Performing similarity or substructure searches - **Cheminformatics**: Analyzing molecular properties and drug-likeness - **Target-ligand relationships**: Exploring compound-target interactions - **Drug discovery**: Identifying inhibitors, agonists, or bioactive molecules ## Installation and Setup ### Python Client The ChEMBL Python client is required for programma
- Overview
- When to Use This Skill
- Installation and Setup
- Python Client
- Basic Usage Pattern
- Core Capabilities
- 1. Molecule Queries
- 2. Target Queries
- 3. Bioactivity Data
- 4. Structure-Based Searches
- 5. Drug Information
- Query Workflow
- Workflow 1: Finding Inhibitors for a Target
- Workflow 2: Analyzing a Known Drug
uv pip install chembl_webresource_client
What does the chembl-database skill do?
Query ChEMBL bioactive molecules and drug discovery data. Search compounds by structure/properties, retrieve bioactivity data (IC50, Ki), find inhibitors, perform SAR studies, for medicinal chemistry.
How do I install it?
Run `npx skills add LeonChaoX/qinyan-academic-skills --skill chembl-database --agent claude-code` — it drops the skill into your project so the agent can pick it up. Swap the --agent value for codex, cursor or copilot if you use one of those.
Where does this skill come from?
From LeonChaoX/qinyan-academic-skills, a repository with 759 stars. We read it straight from the repository tree rather than a submitted listing, so what you see here is what is actually published.
Is a popular skill a good skill?
Not necessarily. Stars measure attention, not adoption — a repository can trend for a week and be abandoned. That is why we show the weekly change from our own snapshots next to the total, instead of a single flattering number.